4-[[4-[[4-(cyanomethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide

Systemtic Name: 4-[[4-[[4-(cyanomethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Openeye Name: 4-[[4-[4-(cyanomethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide CAS Name: 4-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoro-2-pyrimidinyl]amino]-2-methoxybenzenesulfonamide IUPAC Name: 4-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxybenzenesulfonamide Traditional Name: 4-[[4-[4-(cyanomethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Formula: C20H19FN6O4S MolecularWeight: 458.466063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)S(=O)(=O)N)OC)OCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)S(=O)(=O)N)OC)OCC#N

InChI

InChI=1S/C20H19FN6O4S/c1-12-9-13(3-5-16(12)31-8-7-22)25-19-15(21)11-24-20(27-19)26-14-4-6-18(32(23,28)29)17(10-14)30-2/h3-6,9-11H,8H2,1-2H3,(H2,23,28,29)(H2,24,25,26,27)